9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole

C70H49N — CID 126633149

IUPAC9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3c3cc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc5cc43)cc21
InChIInChI=1S/C70H49N/c1-69(2)63-20-9-5-15-52(63)54-34-28-45(39-65(54)69)43-26-32-50-59(36-43)60-37-44(46-29-35-55-53-16-6-10-21-64(53)70(3,4)66(55)40-46)27-33-51(60)62-41-58-47(38-61(50)62)14-13-19-49(58)42-24-30-48(31-25-42)71-67-22-11-7-17-56(67)57-18-8-12-23-68(57)71/h5-41H,1-4H3
InChIKeyDGKMMAYFXAEESF-UHFFFAOYSA-N
MW904.17 g/mol
LogP19.01
Rot. Bonds4

About 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole

9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole (PubChem CID 126633149) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole
PubChem CID126633149
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC Name9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3c3cc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc5cc43)cc21
InChIInChI=1S/C70H49N/c1-69(2)63-20-9-5-15-52(63)54-34-28-45(39-65(54)69)43-26-32-50-59(36-43)60-37-44(46-29-35-55-53-16-6-10-21-64(53)70(3,4)66(55)40-46)27-33-51(60)62-41-58-47(38-61(50)62)14-13-19-49(58)42-24-30-48(31-25-42)71-67-22-11-7-17-56(67)57-18-8-12-23-68(57)71/h5-41H,1-4H3
InChIKeyDGKMMAYFXAEESF-UHFFFAOYSA-N
XLogP19.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[4-[3-(9,9-dimethylfluoren-2-yl)-6-(9-ethyl-9-methylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole
CID 163667460
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-[4-[3,6-bis(4-naphthalen-1-ylphenyl)benzo[b]triphenylen-10-yl]phenyl]carbazole
CID 126633133
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;9-(4-naphthalen-1-ylphenyl)-2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]carbazole
CID 161262877
9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475197
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole (CID 126633149) is 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3c3cc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc5cc43)cc21.
What is the InChIKey of 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole?
The InChIKey is DGKMMAYFXAEESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-69(2)63-20-9-5-15-52(63)54-34-28-45(39-65(54)69)43-26-32-50-59(36-43)60-37-44(46-29-35-55-53-16-6-10-21-64(53)70(3,4)66(55)40-46)27-33-51(60)62-41-58-47(38-61(50)62)14-13-19-49(58)42-24-30-48(31-25-42)71-67-22-11-7-17-56(67)57-18-8-12-23-68(57)71/h5-41H,1-4H3.
What are the key properties of 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole?
9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole has a molecular weight of 904.17 g/mol, XLogP of 19.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole is sourced from PubChem (CID 126633149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).