N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine

C61H52N2 — CID 169286110

IUPACN-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILES[2H]C1(c2ccc3c(c2)C2(c4cc(C5([2H])CCCCC5)ccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc32)CCCCC1
InChIInChI=1S/C61H52N2/c1-4-18-41(19-5-1)43-34-36-48-49-37-35-44(42-20-6-2-7-21-42)39-56(49)61(55(48)38-43)53-29-13-10-28-52(53)60-54(61)30-17-33-59(60)62(45-22-8-3-9-23-45)46-24-16-25-47(40-46)63-57-31-14-11-26-50(57)51-27-12-15-32-58(51)63/h3,8-17,22-42H,1-2,4-7,18-21H2/i41D,42D
InChIKeyDHVRHAPBNMYRDE-RHDBGVRGSA-N
MW815.11 g/mol
LogP16.69
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine

N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 169286110) has the molecular formula C61H52N2 and a molecular weight of 815.11 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
PubChem CID169286110
Molecular FormulaC61H52N2
Molecular Weight815.11 g/mol
Exact Mass814.43
IUPAC NameN-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILES[2H]C1(c2ccc3c(c2)C2(c4cc(C5([2H])CCCCC5)ccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc32)CCCCC1
InChIInChI=1S/C61H52N2/c1-4-18-41(19-5-1)43-34-36-48-49-37-35-44(42-20-6-2-7-21-42)39-56(49)61(55(48)38-43)53-29-13-10-28-52(53)60-54(61)30-17-33-59(60)62(45-22-8-3-9-23-45)46-24-16-25-47(40-46)63-57-31-14-11-26-50(57)51-27-12-15-32-58(51)63/h3,8-17,22-42H,1-2,4-7,18-21H2/i41D,42D
InChIKeyDHVRHAPBNMYRDE-RHDBGVRGSA-N
XLogP16.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.11
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788782
2',7'-bis(1-deuteriocyclopentyl)-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 169286012
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291479
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
7-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193235
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174291586
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine (CID 169286110) is N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine is [2H]C1(c2ccc3c(c2)C2(c4cc(C5([2H])CCCCC5)ccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc32)CCCCC1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is DHVRHAPBNMYRDE-RHDBGVRGSA-N. The full InChI is InChI=1S/C61H52N2/c1-4-18-41(19-5-1)43-34-36-48-49-37-35-44(42-20-6-2-7-21-42)39-56(49)61(55(48)38-43)53-29-13-10-28-52(53)60-54(61)30-17-33-59(60)62(45-22-8-3-9-23-45)46-24-16-25-47(40-46)63-57-31-14-11-26-50(57)51-27-12-15-32-58(51)63/h3,8-17,22-42H,1-2,4-7,18-21H2/i41D,42D.
What are the key properties of N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 815.11 g/mol, XLogP of 16.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 169286110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).