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

C72H44N2 — CID 165069315

IUPACN-(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
SMILES[2H]c1c([2H])c2c3c(c([2H])c([2H])c([2H])c3c1[2H])C1(c3ccccc3-c3c(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc31)c1ccccc1-2
InChIInChI=1S/C72H44N2/c1-2-21-46(22-3-1)74-66-37-15-9-27-54(66)57-43-47(40-42-67(57)74)73(48-39-41-53-51-25-6-12-32-60(51)71(65(53)44-48)58-30-10-4-23-49(58)50-24-5-11-31-59(50)71)68-38-18-36-64-70(68)56-28-8-14-34-62(56)72(64)61-33-13-7-26-52(61)55-29-16-19-45-20-17-35-63(72)69(45)55/h1-44H/i16D,17D,19D,20D,29D,35D
InChIKeyMSORBVYTTJVLRI-QOUWKLOVSA-N
MW943.19 g/mol
LogP18.09
Rot. Bonds4

About 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

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 (PubChem CID 165069315) has the molecular formula C72H44N2 and a molecular weight of 943.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID165069315
Molecular FormulaC72H44N2
Molecular Weight943.19 g/mol
Exact Mass942.39
IUPAC NameN-(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
SMILES[2H]c1c([2H])c2c3c(c([2H])c([2H])c([2H])c3c1[2H])C1(c3ccccc3-c3c(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc31)c1ccccc1-2
InChIInChI=1S/C72H44N2/c1-2-21-46(22-3-1)74-66-37-15-9-27-54(66)57-43-47(40-42-67(57)74)73(48-39-41-53-51-25-6-12-32-60(51)71(65(53)44-48)58-30-10-4-23-49(58)50-24-5-11-31-59(50)71)68-38-18-36-64-70(68)56-28-8-14-34-62(56)72(64)61-33-13-7-26-52(61)55-29-16-19-45-20-17-35-63(72)69(45)55/h1-44H/i16D,17D,19D,20D,29D,35D
InChIKeyMSORBVYTTJVLRI-QOUWKLOVSA-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 ≤ 500943.19
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164988864
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine;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 165104115
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-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
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-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476470
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
4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine
CID 168775231
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c2c3c(c([2H])c([2H])c([2H])c3c1[2H])C1(c3ccccc3-c3c(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc31)c1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is MSORBVYTTJVLRI-QOUWKLOVSA-N. The full InChI is InChI=1S/C72H44N2/c1-2-21-46(22-3-1)74-66-37-15-9-27-54(66)57-43-47(40-42-67(57)74)73(48-39-41-53-51-25-6-12-32-60(51)71(65(53)44-48)58-30-10-4-23-49(58)50-24-5-11-31-59(50)71)68-38-18-36-64-70(68)56-28-8-14-34-62(56)72(64)61-33-13-7-26-52(61)55-29-16-19-45-20-17-35-63(72)69(45)55/h1-44H/i16D,17D,19D,20D,29D,35D.
What are the key properties of 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?
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 has a molecular weight of 943.19 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 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 is sourced from PubChem (CID 165069315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).