12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C95H59N3 — CID 159453518

IUPAC12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)ccc2c1.c1ccc2cc(C3c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4-c4c3ccc3ccccc43)ccc2c1
InChIInChI=1S/C48H30N2.C47H29N/c1-2-12-35-29-36(18-17-31(35)9-1)32-19-23-37(24-20-32)49-43-16-8-7-15-41(43)42-30-38(25-28-44(42)49)50-45-26-21-33-10-3-5-13-39(33)47(45)48-40-14-6-4-11-34(40)22-27-46(48)50;1-2-13-33-27-34(18-17-29(33)9-1)44-39-24-22-35(28-41(39)45-36-14-6-3-10-30(36)19-23-40(44)45)48-42-25-20-31-11-4-7-15-37(31)46(42)47-38-16-8-5-12-32(38)21-26-43(47)48/h1-30H;1-28,44H
InChIKeyLTRGYGVPQIEERT-UHFFFAOYSA-N
MW1242.54 g/mol
LogP25.56
Rot. Bonds5

About 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 159453518) has the molecular formula C95H59N3 and a molecular weight of 1242.54 g/mol. Its IUPAC name is 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID159453518
Molecular FormulaC95H59N3
Molecular Weight1242.54 g/mol
Exact Mass1241.47
IUPAC Name12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)ccc2c1.c1ccc2cc(C3c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4-c4c3ccc3ccccc43)ccc2c1
InChIInChI=1S/C48H30N2.C47H29N/c1-2-12-35-29-36(18-17-31(35)9-1)32-19-23-37(24-20-32)49-43-16-8-7-15-41(43)42-30-38(25-28-44(42)49)50-45-26-21-33-10-3-5-13-39(33)47(45)48-40-14-6-4-11-34(40)22-27-46(48)50;1-2-13-33-27-34(18-17-29(33)9-1)44-39-24-22-35(28-41(39)45-36-14-6-3-10-30(36)19-23-40(44)45)48-42-25-20-31-11-4-7-15-37(31)46(42)47-38-16-8-5-12-32(38)21-26-43(47)48/h1-30H;1-28,44H
InChIKeyLTRGYGVPQIEERT-UHFFFAOYSA-N
XLogP25.56
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.54
LogP ≤ 525.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 167027847
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
12-phenyl-16-triphenylen-2-yl-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 168766063
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
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
15-[4-(9-phenylcarbazol-3-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene
CID 164740446
5-naphthalen-2-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-2-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-2-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 159195289
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
14-(3,5-diphenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(2,6-diphenyl-4-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(3-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161494155
9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 121246572
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142

Frequently Asked Questions

What is the IUPAC name of 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 159453518) is 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)ccc2c1.c1ccc2cc(C3c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4-c4c3ccc3ccccc43)ccc2c1.
What is the InChIKey of 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is LTRGYGVPQIEERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2.C47H29N/c1-2-12-35-29-36(18-17-31(35)9-1)32-19-23-37(24-20-32)49-43-16-8-7-15-41(43)42-30-38(25-28-44(42)49)50-45-26-21-33-10-3-5-13-39(33)47(45)48-40-14-6-4-11-34(40)22-27-46(48)50;1-2-13-33-27-34(18-17-29(33)9-1)44-39-24-22-35(28-41(39)45-36-14-6-3-10-30(36)19-23-40(44)45)48-42-25-20-31-11-4-7-15-37(31)46(42)47-38-16-8-5-12-32(38)21-26-43(47)48/h1-30H;1-28,44H.
What are the key properties of 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 1242.54 g/mol, XLogP of 25.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 159453518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).