14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C58H39N3 — CID 129122679

IUPAC14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c(-c1ccc(-c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2)cc1)nc1ccccc13
InChIInChI=1S/C58H39N3/c1-58(2)50-21-9-3-15-41(50)48-34-47-42-16-4-10-22-52(42)59-57(49(47)35-51(48)58)37-29-27-36(28-30-37)38-31-39(60-53-23-11-5-17-43(53)44-18-6-12-24-54(44)60)33-40(32-38)61-55-25-13-7-19-45(55)46-20-8-14-26-56(46)61/h3-35H,1-2H3
InChIKeyRLJCLIIIEAVOLN-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.22
Rot. Bonds4

About 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 129122679) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID129122679
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c(-c1ccc(-c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2)cc1)nc1ccccc13
InChIInChI=1S/C58H39N3/c1-58(2)50-21-9-3-15-41(50)48-34-47-42-16-4-10-22-52(42)59-57(49(47)35-51(48)58)37-29-27-36(28-30-37)38-31-39(60-53-23-11-5-17-43(53)44-18-6-12-24-54(44)60)33-40(32-38)61-55-25-13-7-19-45(55)46-20-8-14-26-56(46)61/h3-35H,1-2H3
InChIKeyRLJCLIIIEAVOLN-UHFFFAOYSA-N
XLogP15.22
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592234
7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 145257288
14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130393909
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 121444153
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 160963746
10,10-dimethyl-14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122755
14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 162197518
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390

Frequently Asked Questions

What is the IUPAC name of 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 129122679) is 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is CC1(C)c2ccccc2-c2cc3c(cc21)c(-c1ccc(-c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2)cc1)nc1ccccc13.
What is the InChIKey of 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is RLJCLIIIEAVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-58(2)50-21-9-3-15-41(50)48-34-47-42-16-4-10-22-52(42)59-57(49(47)35-51(48)58)37-29-27-36(28-30-37)38-31-39(60-53-23-11-5-17-43(53)44-18-6-12-24-54(44)60)33-40(32-38)61-55-25-13-7-19-45(55)46-20-8-14-26-56(46)61/h3-35H,1-2H3.
What are the key properties of 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 777.97 g/mol, XLogP of 15.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 129122679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).