N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C50H40N2 — CID 121267037

IUPACN-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4c(c6ccccc6n4-c4ccccc4)C5(C)C)cc3)cc21
InChIInChI=1S/C50H40N2/c1-49(2)43-21-13-11-19-39(43)40-29-28-38(32-45(40)49)51(35-15-7-5-8-16-35)37-26-23-33(24-27-37)34-25-30-44-42(31-34)48-47(50(44,3)4)41-20-12-14-22-46(41)52(48)36-17-9-6-10-18-36/h5-32H,1-4H3
InChIKeyIHMBWFAEDSOSOA-UHFFFAOYSA-N
MW668.88 g/mol
LogP13.38
Rot. Bonds5

About N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 121267037) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID121267037
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC NameN-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4c(c6ccccc6n4-c4ccccc4)C5(C)C)cc3)cc21
InChIInChI=1S/C50H40N2/c1-49(2)43-21-13-11-19-39(43)40-29-28-38(32-45(40)49)51(35-15-7-5-8-16-35)37-26-23-33(24-27-37)34-25-30-44-42(31-34)48-47(50(44,3)4)41-20-12-14-22-46(41)52(48)36-17-9-6-10-18-36/h5-32H,1-4H3
InChIKeyIHMBWFAEDSOSOA-UHFFFAOYSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
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
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
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-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 121267037) is N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4c(c6ccccc6n4-c4ccccc4)C5(C)C)cc3)cc21.
What is the InChIKey of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is IHMBWFAEDSOSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-49(2)43-21-13-11-19-39(43)40-29-28-38(32-45(40)49)51(35-15-7-5-8-16-35)37-26-23-33(24-27-37)34-25-30-44-42(31-34)48-47(50(44,3)4)41-20-12-14-22-46(41)52(48)36-17-9-6-10-18-36/h5-32H,1-4H3.
What are the key properties of N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 668.88 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 121267037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).