N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine

C55H44N2 — CID 165167448

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(Cc3cccc4c3C(C)(C)c3ccccc3-4)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc21
InChIInChI=1S/C55H44N2/c1-54(2)48-20-9-5-15-42(48)44-33-32-41(34-50(44)54)56(35-38-14-13-19-47-43-16-6-10-21-49(43)55(3,4)53(38)47)39-28-24-36(25-29-39)37-26-30-40(31-27-37)57-51-22-11-7-17-45(51)46-18-8-12-23-52(46)57/h5-34H,35H2,1-4H3
InChIKeyMILDCVBMSDXUSX-UHFFFAOYSA-N
MW732.97 g/mol
LogP14.40
Rot. Bonds6

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine (PubChem CID 165167448) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine
PubChem CID165167448
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(Cc3cccc4c3C(C)(C)c3ccccc3-4)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc21
InChIInChI=1S/C55H44N2/c1-54(2)48-20-9-5-15-42(48)44-33-32-41(34-50(44)54)56(35-38-14-13-19-47-43-16-6-10-21-49(43)55(3,4)53(38)47)39-28-24-36(25-29-39)37-26-30-40(31-27-37)57-51-22-11-7-17-45(51)46-18-8-12-23-52(46)57/h5-34H,35H2,1-4H3
InChIKeyMILDCVBMSDXUSX-UHFFFAOYSA-N
XLogP14.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
CID 58903663
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline
CID 137468935
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine (CID 165167448) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(Cc3cccc4c3C(C)(C)c3ccccc3-4)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc21.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is MILDCVBMSDXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-54(2)48-20-9-5-15-42(48)44-33-32-41(34-50(44)54)56(35-38-14-13-19-47-43-16-6-10-21-49(43)55(3,4)53(38)47)39-28-24-36(25-29-39)37-26-30-40(31-27-37)57-51-22-11-7-17-45(51)46-18-8-12-23-52(46)57/h5-34H,35H2,1-4H3.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 732.97 g/mol, XLogP of 14.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 165167448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).