6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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

C110H62N8O2 — CID 129297598

IUPAC6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5c(-c7ccc8cc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11nc%12c%13c(cccc%13n%11)Oc%11ccccc%11-%12)cc%10c%10c%11ccccc%11ccc%109)c9ccccc9c8c7)cccc5-6)cc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C110H62N8O2/c1-2-19-63(20-3-1)64-41-49-73(50-42-64)115-94-53-47-69(59-86(94)102-74-23-6-4-21-65(74)43-55-96(102)115)67-45-52-93-85(57-67)80-28-11-14-35-91(80)118(93)110-112-89-33-18-38-101-105(89)107(114-110)82-31-16-30-76(108(82)120-101)71-39-40-72-62-98(78-26-9-8-25-77(78)83(72)61-71)116-95-54-48-70(60-87(95)103-75-24-7-5-22-66(75)44-56-97(103)116)68-46-51-92-84(58-68)79-27-10-13-34-90(79)117(92)109-111-88-32-17-37-100-104(88)106(113-109)81-29-12-15-36-99(81)119-100/h1-62H
InChIKeyZASPDUKEZUPVQW-UHFFFAOYSA-N
MW1527.76 g/mol
LogP28.79
Rot. Bonds8

About 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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

6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 129297598) has the molecular formula C110H62N8O2 and a molecular weight of 1527.76 g/mol. Its IUPAC name is 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 Name6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 CID129297598
Molecular FormulaC110H62N8O2
Molecular Weight1527.76 g/mol
Exact Mass1526.50
IUPAC Name6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5c(-c7ccc8cc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11nc%12c%13c(cccc%13n%11)Oc%11ccccc%11-%12)cc%10c%10c%11ccccc%11ccc%109)c9ccccc9c8c7)cccc5-6)cc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C110H62N8O2/c1-2-19-63(20-3-1)64-41-49-73(50-42-64)115-94-53-47-69(59-86(94)102-74-23-6-4-21-65(74)43-55-96(102)115)67-45-52-93-85(57-67)80-28-11-14-35-91(80)118(93)110-112-89-33-18-38-101-105(89)107(114-110)82-31-16-30-76(108(82)120-101)71-39-40-72-62-98(78-26-9-8-25-77(78)83(72)61-71)116-95-54-48-70(60-87(95)103-75-24-7-5-22-66(75)44-56-97(103)116)68-46-51-92-84(58-68)79-27-10-13-34-90(79)117(92)109-111-88-32-17-37-100-104(88)106(113-109)81-29-12-15-36-99(81)119-100/h1-62H
InChIKeyZASPDUKEZUPVQW-UHFFFAOYSA-N
XLogP28.79
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001527.76
LogP ≤ 528.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 129297598) is 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5c(-c7ccc8cc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11nc%12c%13c(cccc%13n%11)Oc%11ccccc%11-%12)cc%10c%10c%11ccccc%11ccc%109)c9ccccc9c8c7)cccc5-6)cc4c4c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 ZASPDUKEZUPVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H62N8O2/c1-2-19-63(20-3-1)64-41-49-73(50-42-64)115-94-53-47-69(59-86(94)102-74-23-6-4-21-65(74)43-55-96(102)115)67-45-52-93-85(57-67)80-28-11-14-35-91(80)118(93)110-112-89-33-18-38-101-105(89)107(114-110)82-31-16-30-76(108(82)120-101)71-39-40-72-62-98(78-26-9-8-25-77(78)83(72)61-71)116-95-54-48-70(60-87(95)103-75-24-7-5-22-66(75)44-56-97(103)116)68-46-51-92-84(58-68)79-27-10-13-34-90(79)117(92)109-111-88-32-17-37-100-104(88)106(113-109)81-29-12-15-36-99(81)119-100/h1-62H.
What are the key properties of 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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?
6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 1527.76 g/mol, XLogP of 28.79, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[10-[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-3-yl]benzo[c]carbazol-7-yl]phenanthren-3-yl]-15-[3-[7-(4-phenylphenyl)benzo[c]carbazol-10-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 129297598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).