9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole

C71H47N3 — CID 88890651

IUPAC9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole
SMILESCC1c2ccccc2-c2cc3c(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C71H47N3/c1-45-55-23-11-12-24-56(55)60-44-64-63(43-59(45)60)69(48-29-31-50(32-30-48)71-72-65-27-15-16-28-68(65)74(71)53-21-9-4-10-22-53)57-25-13-14-26-58(57)70(64)49-33-37-54(38-34-49)73-66-39-35-51(46-17-5-2-6-18-46)41-61(66)62-42-52(36-40-67(62)73)47-19-7-3-8-20-47/h2-45H,1H3
InChIKeyFVMOGGKCASRZPH-UHFFFAOYSA-N
MW942.18 g/mol
LogP18.90
Rot. Bonds7

About 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole

9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 88890651) has the molecular formula C71H47N3 and a molecular weight of 942.18 g/mol. Its IUPAC name is 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole
PubChem CID88890651
Molecular FormulaC71H47N3
Molecular Weight942.18 g/mol
Exact Mass941.38
IUPAC Name9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole
SMILESCC1c2ccccc2-c2cc3c(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C71H47N3/c1-45-55-23-11-12-24-56(55)60-44-64-63(43-59(45)60)69(48-29-31-50(32-30-48)71-72-65-27-15-16-28-68(65)74(71)53-21-9-4-10-22-53)57-25-13-14-26-58(57)70(64)49-33-37-54(38-34-49)73-66-39-35-51(46-17-5-2-6-18-46)41-61(66)62-42-52(36-40-67(62)73)47-19-7-3-8-20-47/h2-45H,1H3
InChIKeyFVMOGGKCASRZPH-UHFFFAOYSA-N
XLogP18.90
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.18
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
1-[4-(9,10-diphenyl-6-propan-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953696
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-methyl-1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole;1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-(9-phenyl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 157224662
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole (CID 88890651) is 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole is CC1c2ccccc2-c2cc3c(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is FVMOGGKCASRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N3/c1-45-55-23-11-12-24-56(55)60-44-64-63(43-59(45)60)69(48-29-31-50(32-30-48)71-72-65-27-15-16-28-68(65)74(71)53-21-9-4-10-22-53)57-25-13-14-26-58(57)70(64)49-33-37-54(38-34-49)73-66-39-35-51(46-17-5-2-6-18-46)41-61(66)62-42-52(36-40-67(62)73)47-19-7-3-8-20-47/h2-45H,1H3.
What are the key properties of 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole?
9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 942.18 g/mol, XLogP of 18.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-methyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 88890651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).