9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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

C56H37N — CID 154982211

IUPAC9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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
SMILESc1ccc(-c2cc3c(c4ccccc24)c2c4ccccc4ccc2n3-c2ccc(-c3ccc4c(c3)C(c3ccccc3)Cc3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C56H37N/c1-3-13-37(14-4-1)49-34-43-31-40-18-7-8-19-41(40)32-50(43)47-29-25-42(33-52(47)49)36-23-27-44(28-24-36)57-53-30-26-39-17-9-10-20-45(39)55(53)56-48-22-12-11-21-46(48)51(35-54(56)57)38-15-5-2-6-16-38/h1-33,35,49H,34H2
InChIKeyFRRAMCVVACOFBN-UHFFFAOYSA-N
MW723.92 g/mol
LogP14.93
Rot. Bonds4

About 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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

9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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 (PubChem CID 154982211) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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.

Molecular Properties

Compound Name9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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
PubChem CID154982211
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC Name9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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
SMILESc1ccc(-c2cc3c(c4ccccc24)c2c4ccccc4ccc2n3-c2ccc(-c3ccc4c(c3)C(c3ccccc3)Cc3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C56H37N/c1-3-13-37(14-4-1)49-34-43-31-40-18-7-8-19-41(40)32-50(43)47-29-25-42(33-52(47)49)36-23-27-44(28-24-36)57-53-30-26-39-17-9-10-20-45(39)55(53)56-48-22-12-11-21-46(48)51(35-54(56)57)38-15-5-2-6-16-38/h1-33,35,49H,34H2
InChIKeyFRRAMCVVACOFBN-UHFFFAOYSA-N
XLogP14.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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 with MolForge

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Related Compounds

9-(4-phenanthren-9-ylphenyl)-12-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 142597967
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
12-(4-dibenzothiophen-4-ylphenyl)-9-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 121246467
12-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-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-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,15-diphenyl-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-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-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 158155664
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
12-[4-[10-phenyl-3-(4-phenylphenyl)anthracen-9-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 130377435
12-[4-(10-naphthalen-2-yl-3-phenylanthracen-9-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 130377445
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-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 136955330
12-[4-(10-phenylanthracen-9-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 86675838
9-(4-naphthalen-1-ylphenyl)-5-phenyl-14-(4-phenylphenyl)-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
CID 139312614
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-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 59103404

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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?
The IUPAC name of 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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 154982211) is 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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.
What is the SMILES notation for 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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?
The canonical SMILES for 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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 is c1ccc(-c2cc3c(c4ccccc24)c2c4ccccc4ccc2n3-c2ccc(-c3ccc4c(c3)C(c3ccccc3)Cc3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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?
The InChIKey is FRRAMCVVACOFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-3-13-37(14-4-1)49-34-43-31-40-18-7-8-19-41(40)32-50(43)47-29-25-42(33-52(47)49)36-23-27-44(28-24-36)57-53-30-26-39-17-9-10-20-45(39)55(53)56-48-22-12-11-21-46(48)51(35-54(56)57)38-15-5-2-6-16-38/h1-33,35,49H,34H2.
What are the key properties of 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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?
9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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 has a molecular weight of 723.92 g/mol, XLogP of 14.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-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 is sourced from PubChem (CID 154982211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).