16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene

C156H88N14O2 — CID 139484032

IUPAC16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(-c2cnc3c4cc(-c5ccc6c7cc(-c8cccc(-c9cnc%10c%11cc(-c%12ccc(-c%13cnc%14c%15ccccc%15c%15ncc(-c%16cccc(-c%17cccc%18c%17oc%17ccccc%17%18)c%16)nc%15c%14n%13)cc%12-c%12cccc%13c%12oc%12ccccc%12%13)ccc%11c%11ncc(-c%12cccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)c%12)nc%11c%10n9)c8)ccc7n(-c7ccccc7)c6c5)ccc4c4ncc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)nc4c3n2)cc1
InChIInChI=1S/C156H88N14O2/c1-4-29-89(30-5-1)131-83-161-147-129-78-92(60-69-120(129)145-151(153(147)163-131)168-136(88-160-145)102-63-67-113-111-45-13-12-43-109(111)107-41-10-11-42-108(107)110-44-14-15-46-112(110)126(113)81-102)95-59-68-115-128-77-94(65-72-139(128)170(140(115)82-95)104-39-8-3-9-40-104)91-32-25-35-99(74-91)133-86-162-148-130-79-97(61-70-121(130)146-152(154(148)166-133)164-132(84-159-146)98-34-24-31-90(73-98)93-64-71-138-127(76-93)114-47-18-21-56-137(114)169(138)103-37-6-2-7-38-103)105-66-62-101(80-125(105)124-55-28-54-123-117-49-20-23-58-142(117)172-156(123)124)135-87-158-144-119-51-17-16-50-118(119)143-149(150(144)167-135)165-134(85-157-143)100-36-26-33-96(75-100)106-52-27-53-122-116-48-19-22-57-141(116)171-155(106)122/h1-88H/b109-107-,110-108-,113-111-,126-112-
InChIKeyMSUWZIMGDOSDIJ-YZHHAKDTSA-N
MW2190.52 g/mol
LogP39.78
Rot. Bonds14

About 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene

16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene (PubChem CID 139484032) has the molecular formula C156H88N14O2 and a molecular weight of 2190.52 g/mol. Its IUPAC name is 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
PubChem CID139484032
Molecular FormulaC156H88N14O2
Molecular Weight2190.52 g/mol
Exact Mass2188.72
IUPAC Name16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(-c2cnc3c4cc(-c5ccc6c7cc(-c8cccc(-c9cnc%10c%11cc(-c%12ccc(-c%13cnc%14c%15ccccc%15c%15ncc(-c%16cccc(-c%17cccc%18c%17oc%17ccccc%17%18)c%16)nc%15c%14n%13)cc%12-c%12cccc%13c%12oc%12ccccc%12%13)ccc%11c%11ncc(-c%12cccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)c%12)nc%11c%10n9)c8)ccc7n(-c7ccccc7)c6c5)ccc4c4ncc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)nc4c3n2)cc1
InChIInChI=1S/C156H88N14O2/c1-4-29-89(30-5-1)131-83-161-147-129-78-92(60-69-120(129)145-151(153(147)163-131)168-136(88-160-145)102-63-67-113-111-45-13-12-43-109(111)107-41-10-11-42-108(107)110-44-14-15-46-112(110)126(113)81-102)95-59-68-115-128-77-94(65-72-139(128)170(140(115)82-95)104-39-8-3-9-40-104)91-32-25-35-99(74-91)133-86-162-148-130-79-97(61-70-121(130)146-152(154(148)166-133)164-132(84-159-146)98-34-24-31-90(73-98)93-64-71-138-127(76-93)114-47-18-21-56-137(114)169(138)103-37-6-2-7-38-103)105-66-62-101(80-125(105)124-55-28-54-123-117-49-20-23-58-142(117)172-156(123)124)135-87-158-144-119-51-17-16-50-118(119)143-149(150(144)167-135)165-134(85-157-143)100-36-26-33-96(75-100)106-52-27-53-122-116-48-19-22-57-141(116)171-155(106)122/h1-88H/b109-107-,110-108-,113-111-,126-112-
InChIKeyMSUWZIMGDOSDIJ-YZHHAKDTSA-N
XLogP39.78
TPSA190.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.52
LogP ≤ 539.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene (CID 139484032) is 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene is c1ccc(-c2cnc3c4cc(-c5ccc6c7cc(-c8cccc(-c9cnc%10c%11cc(-c%12ccc(-c%13cnc%14c%15ccccc%15c%15ncc(-c%16cccc(-c%17cccc%18c%17oc%17ccccc%17%18)c%16)nc%15c%14n%13)cc%12-c%12cccc%13c%12oc%12ccccc%12%13)ccc%11c%11ncc(-c%12cccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)c%12)nc%11c%10n9)c8)ccc7n(-c7ccccc7)c6c5)ccc4c4ncc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)nc4c3n2)cc1.
What is the InChIKey of 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is MSUWZIMGDOSDIJ-YZHHAKDTSA-N. The full InChI is InChI=1S/C156H88N14O2/c1-4-29-89(30-5-1)131-83-161-147-129-78-92(60-69-120(129)145-151(153(147)163-131)168-136(88-160-145)102-63-67-113-111-45-13-12-43-109(111)107-41-10-11-42-108(107)110-44-14-15-46-112(110)126(113)81-102)95-59-68-115-128-77-94(65-72-139(128)170(140(115)82-95)104-39-8-3-9-40-104)91-32-25-35-99(74-91)133-86-162-148-130-79-97(61-70-121(130)146-152(154(148)166-133)164-132(84-159-146)98-34-24-31-90(73-98)93-64-71-138-127(76-93)114-47-18-21-56-137(114)169(138)103-37-6-2-7-38-103)105-66-62-101(80-125(105)124-55-28-54-123-117-49-20-23-58-142(117)172-156(123)124)135-87-158-144-119-51-17-16-50-118(119)143-149(150(144)167-135)165-134(85-157-143)100-36-26-33-96(75-100)106-52-27-53-122-116-48-19-22-57-141(116)171-155(106)122/h1-88H/b109-107-,110-108-,113-111-,126-112-.
What are the key properties of 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 2190.52 g/mol, XLogP of 39.78, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[2-dibenzofuran-4-yl-4-[10-(3-dibenzofuran-4-ylphenyl)-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl]phenyl]-5-[3-(9-phenylcarbazol-3-yl)phenyl]-10-[3-[9-phenyl-7-(10-phenyl-5-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaen-16-yl)carbazol-3-yl]phenyl]-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 139484032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).