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

C62H39FN2 — CID 90336953

IUPAC15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESFc1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2ccccc2)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc24)cc1
InChIInChI=1S/C62H39FN2/c63-46-29-31-47(32-30-46)64-57-26-14-13-24-51(57)55-38-53-49-22-10-11-25-52(49)62(61(56(53)39-60(55)64)42-20-8-3-9-21-42)43-28-33-59-54(37-43)50-23-12-15-27-58(50)65(59)48-35-44(40-16-4-1-5-17-40)34-45(36-48)41-18-6-2-7-19-41/h1-39H
InChIKeyBONQQPXQXAOYLR-UHFFFAOYSA-N
MW831.01 g/mol
LogP16.99
Rot. Bonds6

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

15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 90336953) has the molecular formula C62H39FN2 and a molecular weight of 831.01 g/mol. Its IUPAC name is 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 Name15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID90336953
Molecular FormulaC62H39FN2
Molecular Weight831.01 g/mol
Exact Mass830.31
IUPAC Name15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESFc1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2ccccc2)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc24)cc1
InChIInChI=1S/C62H39FN2/c63-46-29-31-47(32-30-46)64-57-26-14-13-24-51(57)55-38-53-49-22-10-11-25-52(49)62(61(56(53)39-60(55)64)42-20-8-3-9-21-42)43-28-33-59-54(37-43)50-23-12-15-27-58(50)65(59)48-35-44(40-16-4-1-5-17-40)34-45(36-48)41-18-6-2-7-19-41/h1-39H
InChIKeyBONQQPXQXAOYLR-UHFFFAOYSA-N
XLogP16.99
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.01
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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

20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310204
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408

Frequently Asked Questions

What is the IUPAC name of 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 90336953) is 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is Fc1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2ccccc2)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc24)cc1.
What is the InChIKey of 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 BONQQPXQXAOYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39FN2/c63-46-29-31-47(32-30-46)64-57-26-14-13-24-51(57)55-38-53-49-22-10-11-25-52(49)62(61(56(53)39-60(55)64)42-20-8-3-9-21-42)43-28-33-59-54(37-43)50-23-12-15-27-58(50)65(59)48-35-44(40-16-4-1-5-17-40)34-45(36-48)41-18-6-2-7-19-41/h1-39H.
What are the key properties of 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 831.01 g/mol, XLogP of 16.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-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 90336953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).