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

C72H44N2 — CID 165015040

IUPAC9-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23
InChIInChI=1S/C72H44N2/c1-2-19-45(20-3-1)74-67-36-17-10-27-55(67)58-43-46(38-41-69(58)74)73(47-37-39-54-52-25-8-15-34-63(52)72(66(54)44-47)61-32-13-6-23-50(61)51-24-7-14-33-62(51)72)68-42-40-65-70-56(28-18-29-57(68)70)53-26-9-16-35-64(53)71(65)59-30-11-4-21-48(59)49-22-5-12-31-60(49)71/h1-44H/i4D,11D,21D,30D
InChIKeyOCIDDDCEEFQGOL-OYOFTXATSA-N
MW941.18 g/mol
LogP18.09
Rot. Bonds4

About 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

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 (PubChem CID 165015040) has the molecular formula C72H44N2 and a molecular weight of 941.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID165015040
Molecular FormulaC72H44N2
Molecular Weight941.18 g/mol
Exact Mass940.38
IUPAC Name9-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23
InChIInChI=1S/C72H44N2/c1-2-19-45(20-3-1)74-67-36-17-10-27-55(67)58-43-46(38-41-69(58)74)73(47-37-39-54-52-25-8-15-34-63(52)72(66(54)44-47)61-32-13-6-23-50(61)51-24-7-14-33-62(51)72)68-42-40-65-70-56(28-18-29-57(68)70)53-26-9-16-35-64(53)71(65)59-30-11-4-21-48(59)49-22-5-12-31-60(49)71/h1-44H/i4D,11D,21D,30D
InChIKeyOCIDDDCEEFQGOL-OYOFTXATSA-N
XLogP18.09
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.18
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165019267
9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165019271
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,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
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-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
N-dibenzofuran-1-yl-N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 165020402
N-dibenzothiophen-1-yl-N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)-9-phenylcarbazol-3-amine
CID 164962740
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23.
What is the InChIKey of 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?
The InChIKey is OCIDDDCEEFQGOL-OYOFTXATSA-N. The full InChI is InChI=1S/C72H44N2/c1-2-19-45(20-3-1)74-67-36-17-10-27-55(67)58-43-46(38-41-69(58)74)73(47-37-39-54-52-25-8-15-34-63(52)72(66(54)44-47)61-32-13-6-23-50(61)51-24-7-14-33-62(51)72)68-42-40-65-70-56(28-18-29-57(68)70)53-26-9-16-35-64(53)71(65)59-30-11-4-21-48(59)49-22-5-12-31-60(49)71/h1-44H/i4D,11D,21D,30D.
What are the key properties of 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?
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 has a molecular weight of 941.18 g/mol, XLogP of 18.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165015040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).