15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C154H86N12O3 — CID 139539111

IUPAC15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c7ccc(-c8ccc9ccc%10c%11cc(-c%12ccc%13c%14ccc(-c%15ccc%16ccc%17c%18cc(-c%19ccc%20c%21ccccc%21n(-c%21nc%22c%23c(cccc%23n%21)Oc%21ccccc%21-%22)c%20c%19)ccc%18n(-c%18ccccc%18)c%17c%16c%15)cc%14n(-c%14nc%15c%16c(cccc%16n%14)Oc%14ccccc%14-%15)c%13c%12)ccc%11n(-c%11ccc%12ccccc%12c%11)c%10c9c8)cc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6c5)cc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C154H86N12O3/c1-3-22-87(23-4-1)89-48-62-105(63-49-89)162-130-74-60-96(79-122(130)114-70-51-90-25-9-10-29-107(90)149(114)162)102-57-68-112-111-67-56-100(84-134(111)166(135(112)85-102)154-157-127-36-21-43-142-145(127)148(160-154)119-33-14-18-40-139(119)169-142)95-47-45-92-53-72-116-124-81-98(61-75-131(124)163(151(116)121(92)78-95)106-64-50-88-24-7-8-26-93(88)76-106)103-58-69-113-110-66-55-99(83-133(110)165(136(113)86-103)153-156-126-35-20-42-141-144(126)147(159-153)118-32-13-17-39-138(118)168-141)94-46-44-91-52-71-115-123-80-97(59-73-129(123)161(150(115)120(91)77-94)104-27-5-2-6-28-104)101-54-65-109-108-30-11-15-37-128(108)164(132(109)82-101)152-155-125-34-19-41-140-143(125)146(158-152)117-31-12-16-38-137(117)167-140/h1-86H
InChIKeyYOGAWLCOBLADPC-UHFFFAOYSA-N
MW2152.46 g/mol
LogP40.03
Rot. Bonds12

About 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 139539111) has the molecular formula C154H86N12O3 and a molecular weight of 2152.46 g/mol. Its IUPAC name is 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID139539111
Molecular FormulaC154H86N12O3
Molecular Weight2152.46 g/mol
Exact Mass2150.69
IUPAC Name15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c7ccc(-c8ccc9ccc%10c%11cc(-c%12ccc%13c%14ccc(-c%15ccc%16ccc%17c%18cc(-c%19ccc%20c%21ccccc%21n(-c%21nc%22c%23c(cccc%23n%21)Oc%21ccccc%21-%22)c%20c%19)ccc%18n(-c%18ccccc%18)c%17c%16c%15)cc%14n(-c%14nc%15c%16c(cccc%16n%14)Oc%14ccccc%14-%15)c%13c%12)ccc%11n(-c%11ccc%12ccccc%12c%11)c%10c9c8)cc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6c5)cc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C154H86N12O3/c1-3-22-87(23-4-1)89-48-62-105(63-49-89)162-130-74-60-96(79-122(130)114-70-51-90-25-9-10-29-107(90)149(114)162)102-57-68-112-111-67-56-100(84-134(111)166(135(112)85-102)154-157-127-36-21-43-142-145(127)148(160-154)119-33-14-18-40-139(119)169-142)95-47-45-92-53-72-116-124-81-98(61-75-131(124)163(151(116)121(92)78-95)106-64-50-88-24-7-8-26-93(88)76-106)103-58-69-113-110-66-55-99(83-133(110)165(136(113)86-103)153-156-126-35-20-42-141-144(126)147(159-153)118-32-13-17-39-138(118)168-141)94-46-44-91-52-71-115-123-80-97(59-73-129(123)161(150(115)120(91)77-94)104-27-5-2-6-28-104)101-54-65-109-108-30-11-15-37-128(108)164(132(109)82-101)152-155-125-34-19-41-140-143(125)146(158-152)117-31-12-16-38-137(117)167-140/h1-86H
InChIKeyYOGAWLCOBLADPC-UHFFFAOYSA-N
XLogP40.03
TPSA134.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002152.46
LogP ≤ 540.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 139539111) is 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c7ccc(-c8ccc9ccc%10c%11cc(-c%12ccc%13c%14ccc(-c%15ccc%16ccc%17c%18cc(-c%19ccc%20c%21ccccc%21n(-c%21nc%22c%23c(cccc%23n%21)Oc%21ccccc%21-%22)c%20c%19)ccc%18n(-c%18ccccc%18)c%17c%16c%15)cc%14n(-c%14nc%15c%16c(cccc%16n%14)Oc%14ccccc%14-%15)c%13c%12)ccc%11n(-c%11ccc%12ccccc%12c%11)c%10c9c8)cc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6c5)cc4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is YOGAWLCOBLADPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H86N12O3/c1-3-22-87(23-4-1)89-48-62-105(63-49-89)162-130-74-60-96(79-122(130)114-70-51-90-25-9-10-29-107(90)149(114)162)102-57-68-112-111-67-56-100(84-134(111)166(135(112)85-102)154-157-127-36-21-43-142-145(127)148(160-154)119-33-14-18-40-139(119)169-142)95-47-45-92-53-72-116-124-81-98(61-75-131(124)163(151(116)121(92)78-95)106-64-50-88-24-7-8-26-93(88)76-106)103-58-69-113-110-66-55-99(83-133(110)165(136(113)86-103)153-156-126-35-20-42-141-144(126)147(159-153)118-32-13-17-39-138(118)168-141)94-46-44-91-52-71-115-123-80-97(59-73-129(123)161(150(115)120(91)77-94)104-27-5-2-6-28-104)101-54-65-109-108-30-11-15-37-128(108)164(132(109)82-101)152-155-125-34-19-41-140-143(125)146(158-152)117-31-12-16-38-137(117)167-140/h1-86H.
What are the key properties of 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 2152.46 g/mol, XLogP of 40.03, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-[11-naphthalen-2-yl-8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-7-[8-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazol-2-yl]carbazol-2-yl]benzo[a]carbazol-2-yl]-7-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 139539111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).