N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine

C53H34N2 — CID 165019267

IUPACN,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23
InChIInChI=1S/C53H34N2/c1-3-16-35(17-4-1)54(37-30-32-51-44(34-37)41-23-10-14-29-49(41)55(51)36-18-5-2-6-19-36)50-33-31-48-52-42(24-15-25-43(50)52)40-22-9-13-28-47(40)53(48)45-26-11-7-20-38(45)39-21-8-12-27-46(39)53/h1-34H/i7D,11D,20D,26D
InChIKeyRXEZYUCOVKYDQE-BUBRVBQRSA-N
MW702.89 g/mol
LogP13.75
Rot. Bonds4

About N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine

N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine (PubChem CID 165019267) has the molecular formula C53H34N2 and a molecular weight of 702.89 g/mol. Its IUPAC name is N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
PubChem CID165019267
Molecular FormulaC53H34N2
Molecular Weight702.89 g/mol
Exact Mass702.30
IUPAC NameN,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23
InChIInChI=1S/C53H34N2/c1-3-16-35(17-4-1)54(37-30-32-51-44(34-37)41-23-10-14-29-49(41)55(51)36-18-5-2-6-19-36)50-33-31-48-52-42(24-15-25-43(50)52)40-22-9-13-28-47(40)53(48)45-26-11-7-20-38(45)39-21-8-12-27-46(39)53/h1-34H/i7D,11D,20D,26D
InChIKeyRXEZYUCOVKYDQE-BUBRVBQRSA-N
XLogP13.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.89
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165019271
9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165015040
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
CID 134451097
CID 134451097
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164976524
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
CID 165065347
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 165069315
N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
CID 164975470
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165032173
2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-2-N-(9-phenylcarbazol-4-yl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791410

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine (CID 165019267) is N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23.
What is the InChIKey of N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
The InChIKey is RXEZYUCOVKYDQE-BUBRVBQRSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-16-35(17-4-1)54(37-30-32-51-44(34-37)41-23-10-14-29-49(41)55(51)36-18-5-2-6-19-36)50-33-31-48-52-42(24-15-25-43(50)52)40-22-9-13-28-47(40)53(48)45-26-11-7-20-38(45)39-21-8-12-27-46(39)53/h1-34H/i7D,11D,20D,26D.
What are the key properties of N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine has a molecular weight of 702.89 g/mol, XLogP of 13.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine is sourced from PubChem (CID 165019267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).