3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine

C65H43N3 — CID 168775000

IUPAC3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3cc4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1
InChIInChI=1S/C65H43N3/c1-5-22-45(23-6-1)66(46-24-7-2-8-25-46)49-37-39-60-55(42-49)52-31-15-18-34-58(52)65(60)59-35-19-16-32-53(59)57-41-44-21-13-14-30-51(44)64(63(57)65)67(47-26-9-3-10-27-47)50-38-40-62-56(43-50)54-33-17-20-36-61(54)68(62)48-28-11-4-12-29-48/h1-43H
InChIKeyDQBXQYJMOSKEBI-UHFFFAOYSA-N
MW866.08 g/mol
LogP17.22
Rot. Bonds7

About 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine

3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine (PubChem CID 168775000) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine.

Molecular Properties

Compound Name3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
PubChem CID168775000
Molecular FormulaC65H43N3
Molecular Weight866.08 g/mol
Exact Mass865.35
IUPAC Name3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3cc4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1
InChIInChI=1S/C65H43N3/c1-5-22-45(23-6-1)66(46-24-7-2-8-25-46)49-37-39-60-55(42-49)52-31-15-18-34-58(52)65(60)59-35-19-16-32-53(59)57-41-44-21-13-14-30-51(44)64(63(57)65)67(47-26-9-3-10-27-47)50-38-40-62-56(43-50)54-33-17-20-36-61(54)68(62)48-28-11-4-12-29-48/h1-43H
InChIKeyDQBXQYJMOSKEBI-UHFFFAOYSA-N
XLogP17.22
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
3-N',3-N',5-N-triphenyl-5-N-(9-phenylcarbazol-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',5-diamine
CID 168774949
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine
CID 155003622
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
CID 134451097
CID 134451097
7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137493597
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine
CID 153308687
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414

Frequently Asked Questions

What is the IUPAC name of 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine?
The IUPAC name of 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine (CID 168775000) is 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine.
What is the SMILES notation for 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine?
The canonical SMILES for 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3cc4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1.
What is the InChIKey of 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine?
The InChIKey is DQBXQYJMOSKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-5-22-45(23-6-1)66(46-24-7-2-8-25-46)49-37-39-60-55(42-49)52-31-15-18-34-58(52)65(60)59-35-19-16-32-53(59)57-41-44-21-13-14-30-51(44)64(63(57)65)67(47-26-9-3-10-27-47)50-38-40-62-56(43-50)54-33-17-20-36-61(54)68(62)48-28-11-4-12-29-48/h1-43H.
What are the key properties of 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine?
3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine has a molecular weight of 866.08 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine is sourced from PubChem (CID 168775000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).