9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine

C61H39N3 — CID 145334998

IUPAC9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C61H39N3/c1-3-17-40(18-4-1)63-57-29-15-10-24-48(57)50-34-31-43(38-59(50)63)62(44-32-35-51-49-25-11-16-30-58(49)64(60(51)39-44)41-19-5-2-6-20-41)42-33-36-56-52(37-42)47-23-9-14-28-55(47)61(56)53-26-12-7-21-45(53)46-22-8-13-27-54(46)61/h1-39H
InChIKeyMZLNRJZLGVARAE-UHFFFAOYSA-N
MW814.00 g/mol
LogP15.69
Rot. Bonds5

About 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine

9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine (PubChem CID 145334998) has the molecular formula C61H39N3 and a molecular weight of 814.00 g/mol. Its IUPAC name is 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
PubChem CID145334998
Molecular FormulaC61H39N3
Molecular Weight814.00 g/mol
Exact Mass813.31
IUPAC Name9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C61H39N3/c1-3-17-40(18-4-1)63-57-29-15-10-24-48(57)50-34-31-43(38-59(50)63)62(44-32-35-51-49-25-11-16-30-58(49)64(60(51)39-44)41-19-5-2-6-20-41)42-33-36-56-52(37-42)47-23-9-14-28-55(47)61(56)53-26-12-7-21-45(53)46-22-8-13-27-54(46)61/h1-39H
InChIKeyMZLNRJZLGVARAE-UHFFFAOYSA-N
XLogP15.69
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 515.69
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
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473
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
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
4-N-naphthalen-1-yl-3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838081
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine (CID 145334998) is 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1.
What is the InChIKey of 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine?
The InChIKey is MZLNRJZLGVARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3/c1-3-17-40(18-4-1)63-57-29-15-10-24-48(57)50-34-31-43(38-59(50)63)62(44-32-35-51-49-25-11-16-30-58(49)64(60(51)39-44)41-19-5-2-6-20-41)42-33-36-56-52(37-42)47-23-9-14-28-55(47)61(56)53-26-12-7-21-45(53)46-22-8-13-27-54(46)61/h1-39H.
What are the key properties of 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine?
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine has a molecular weight of 814.00 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine is sourced from PubChem (CID 145334998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).