(10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine

C52H43N — CID 142540929

IUPAC(10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine
SMILESC=C/C=c1/c2c(ccc1=C)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c-3cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H43N/c1-7-15-41-34(2)22-31-45-49(41)44-33-46-43(32-47(44)51(45,3)4)42-20-14-21-48(50(42)52(46,5)6)53(39-27-23-37(24-28-39)35-16-10-8-11-17-35)40-29-25-38(26-30-40)36-18-12-9-13-19-36/h7-33H,1-2H2,3-6H3/b41-15+
InChIKeyVUBODBKDCPQTNS-YAHFTTOKSA-N
MW681.92 g/mol
LogP12.48
Rot. Bonds6

About (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine

(10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine (PubChem CID 142540929) has the molecular formula C52H43N and a molecular weight of 681.92 g/mol. Its IUPAC name is (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine.

Molecular Properties

Compound Name(10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine
PubChem CID142540929
Molecular FormulaC52H43N
Molecular Weight681.92 g/mol
Exact Mass681.34
IUPAC Name(10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine
SMILESC=C/C=c1/c2c(ccc1=C)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c-3cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H43N/c1-7-15-41-34(2)22-31-45-49(41)44-33-46-43(32-47(44)51(45,3)4)42-20-14-21-48(50(42)52(46,5)6)53(39-27-23-37(24-28-39)35-16-10-8-11-17-35)40-29-25-38(26-30-40)36-18-12-9-13-19-36/h7-33H,1-2H2,3-6H3/b41-15+
InChIKeyVUBODBKDCPQTNS-YAHFTTOKSA-N
XLogP12.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.92
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
CID 138461967
N-[4-[3-[4-(N-(9,9-dimethylfluoren-1-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine;N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-4-amine
CID 160533887
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 138461965
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 167285584
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285414
6,6,12,12-tetramethyl-7-phenyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455813
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738

Frequently Asked Questions

What is the IUPAC name of (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine?
The IUPAC name of (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine (CID 142540929) is (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine.
What is the SMILES notation for (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine?
The canonical SMILES for (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine is C=C/C=c1/c2c(ccc1=C)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c-3cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine?
The InChIKey is VUBODBKDCPQTNS-YAHFTTOKSA-N. The full InChI is InChI=1S/C52H43N/c1-7-15-41-34(2)22-31-45-49(41)44-33-46-43(32-47(44)51(45,3)4)42-20-14-21-48(50(42)52(46,5)6)53(39-27-23-37(24-28-39)35-16-10-8-11-17-35)40-29-25-38(26-30-40)36-18-12-9-13-19-36/h7-33H,1-2H2,3-6H3/b41-15+.
What are the key properties of (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine?
(10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine has a molecular weight of 681.92 g/mol, XLogP of 12.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine is sourced from PubChem (CID 142540929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).