20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene

C56H34N2 — CID 145085416

IUPAC20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
SMILESc1ccc2c(c1)-c1cc3ccccc3cc1-n1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)cc4)cc-2c31
InChIInChI=1S/C56H34N2/c1-2-12-37-29-40(22-21-35(37)11-1)36-23-26-43(27-24-36)57-52-19-9-7-17-46(52)49-31-41(25-28-54(49)57)42-32-50-45-16-6-5-15-44(45)48-30-38-13-3-4-14-39(38)34-55(48)58-53-20-10-8-18-47(53)51(33-42)56(50)58/h1-34H
InChIKeyTWPBDLOYLCNYRA-UHFFFAOYSA-N
MW734.90 g/mol
LogP15.17
Rot. Bonds3

About 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene

20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene (PubChem CID 145085416) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene.

Molecular Properties

Compound Name20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
PubChem CID145085416
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
SMILESc1ccc2c(c1)-c1cc3ccccc3cc1-n1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)cc4)cc-2c31
InChIInChI=1S/C56H34N2/c1-2-12-37-29-40(22-21-35(37)11-1)36-23-26-43(27-24-36)57-52-19-9-7-17-46(52)49-31-41(25-28-54(49)57)42-32-50-45-16-6-5-15-44(45)48-30-38-13-3-4-14-39(38)34-55(48)58-53-20-10-8-18-47(53)51(33-42)56(50)58/h1-34H
InChIKeyTWPBDLOYLCNYRA-UHFFFAOYSA-N
XLogP15.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene with MolForge

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Related Compounds

27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
CID 121355785
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
2-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59489332
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724

Frequently Asked Questions

What is the IUPAC name of 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?
The IUPAC name of 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene (CID 145085416) is 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene.
What is the SMILES notation for 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?
The canonical SMILES for 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene is c1ccc2c(c1)-c1cc3ccccc3cc1-n1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)cc4)cc-2c31.
What is the InChIKey of 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?
The InChIKey is TWPBDLOYLCNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2/c1-2-12-37-29-40(22-21-35(37)11-1)36-23-26-43(27-24-36)57-52-19-9-7-17-46(52)49-31-41(25-28-54(49)57)42-32-50-45-16-6-5-15-44(45)48-30-38-13-3-4-14-39(38)34-55(48)58-53-20-10-8-18-47(53)51(33-42)56(50)58/h1-34H.
What are the key properties of 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?
20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene has a molecular weight of 734.90 g/mol, XLogP of 15.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene is sourced from PubChem (CID 145085416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).