10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine

C57H48N2 — CID 137396964

IUPAC10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
SMILESCC1C=CC2=C(C1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c(n4-c4ccc(-c5ccccc5)cc4)-c4ccccc4C3(C)C)cc1C2(C)C
InChIInChI=1S/C57H48N2/c1-37-20-32-51-48(34-37)46-31-29-45(36-52(46)56(51,2)3)58(42-25-21-40(22-26-42)38-14-8-6-9-15-38)44-30-33-53-49(35-44)54-55(47-18-12-13-19-50(47)57(54,4)5)59(53)43-27-23-41(24-28-43)39-16-10-7-11-17-39/h6-33,35-37H,34H2,1-5H3
InChIKeyZUTIBYAXFCXXSP-UHFFFAOYSA-N
MW761.03 g/mol
LogP15.38
Rot. Bonds6

About 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine

10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine (PubChem CID 137396964) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine.

Molecular Properties

Compound Name10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
PubChem CID137396964
Molecular FormulaC57H48N2
Molecular Weight761.03 g/mol
Exact Mass760.38
IUPAC Name10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
SMILESCC1C=CC2=C(C1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c(n4-c4ccc(-c5ccccc5)cc4)-c4ccccc4C3(C)C)cc1C2(C)C
InChIInChI=1S/C57H48N2/c1-37-20-32-51-48(34-37)46-31-29-45(36-52(46)56(51,2)3)58(42-25-21-40(22-26-42)38-14-8-6-9-15-38)44-30-33-53-49(35-44)54-55(47-18-12-13-19-50(47)57(54,4)5)59(53)43-27-23-41(24-28-43)39-16-10-7-11-17-39/h6-33,35-37H,34H2,1-5H3
InChIKeyZUTIBYAXFCXXSP-UHFFFAOYSA-N
XLogP15.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,6-triphenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 121445598
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121267037
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-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine
CID 155442064
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
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
6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
CID 138737474
6-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylcarbazol-3-ol;ethane
CID 145348099
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine?
The IUPAC name of 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine (CID 137396964) is 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine.
What is the SMILES notation for 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine?
The canonical SMILES for 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine is CC1C=CC2=C(C1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c(n4-c4ccc(-c5ccccc5)cc4)-c4ccccc4C3(C)C)cc1C2(C)C.
What is the InChIKey of 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine?
The InChIKey is ZUTIBYAXFCXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-37-20-32-51-48(34-37)46-31-29-45(36-52(46)56(51,2)3)58(42-25-21-40(22-26-42)38-14-8-6-9-15-38)44-30-33-53-49(35-44)54-55(47-18-12-13-19-50(47)57(54,4)5)59(53)43-27-23-41(24-28-43)39-16-10-7-11-17-39/h6-33,35-37H,34H2,1-5H3.
What are the key properties of 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine?
10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine has a molecular weight of 761.03 g/mol, XLogP of 15.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine is sourced from PubChem (CID 137396964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).