9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole

C74H49N3 — CID 163568596

IUPAC9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole
SMILESCC1(C)c2cccc3c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9cncc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c6)c5)cc4c4cccc1c4c23
InChIInChI=1S/C74H49N3/c1-74(2)66-25-12-23-62-58-36-34-54(42-64(58)63-24-13-26-67(74)73(63)72(62)66)51-17-10-16-50(39-51)49-15-9-14-48(38-49)46-30-32-47(33-31-46)53-35-37-71-65(43-53)61-22-5-8-29-70(61)76(71)56-19-11-18-52(40-56)55-41-57(45-75-44-55)77-68-27-6-3-20-59(68)60-21-4-7-28-69(60)77/h3-45H,1-2H3
InChIKeyLFUHAAANBZYRGW-UHFFFAOYSA-N
MW980.23 g/mol
LogP19.71
Rot. Bonds7

About 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole

9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 163568596) has the molecular formula C74H49N3 and a molecular weight of 980.23 g/mol. Its IUPAC name is 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID163568596
Molecular FormulaC74H49N3
Molecular Weight980.23 g/mol
Exact Mass979.39
IUPAC Name9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole
SMILESCC1(C)c2cccc3c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9cncc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c6)c5)cc4c4cccc1c4c23
InChIInChI=1S/C74H49N3/c1-74(2)66-25-12-23-62-58-36-34-54(42-64(58)63-24-13-26-67(74)73(63)72(62)66)51-17-10-16-50(39-51)49-15-9-14-48(38-49)46-30-32-47(33-31-46)53-35-37-71-65(43-53)61-22-5-8-29-70(61)76(71)56-19-11-18-52(40-56)55-41-57(45-75-44-55)77-68-27-6-3-20-59(68)60-21-4-7-28-69(60)77/h3-45H,1-2H3
InChIKeyLFUHAAANBZYRGW-UHFFFAOYSA-N
XLogP19.71
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.23
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
25-[3-(3,5-diphenylphenyl)phenyl]-26,26-dimethyl-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163742292
9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
CID 59372061
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole (CID 163568596) is 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole is CC1(C)c2cccc3c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9cncc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c6)c5)cc4c4cccc1c4c23.
What is the InChIKey of 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is LFUHAAANBZYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N3/c1-74(2)66-25-12-23-62-58-36-34-54(42-64(58)63-24-13-26-67(74)73(63)72(62)66)51-17-10-16-50(39-51)49-15-9-14-48(38-49)46-30-32-47(33-31-46)53-35-37-71-65(43-53)61-22-5-8-29-70(61)76(71)56-19-11-18-52(40-56)55-41-57(45-75-44-55)77-68-27-6-3-20-59(68)60-21-4-7-28-69(60)77/h3-45H,1-2H3.
What are the key properties of 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole?
9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 980.23 g/mol, XLogP of 19.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-[4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 163568596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).