9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine

C58H49N — CID 168764943

IUPAC9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5CC7CCC5C(C6)C7)c5ccccc45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H49N/c1-58(2)55-18-10-8-17-51(55)52-29-27-44(36-56(52)58)59(57-19-11-9-14-48(57)38-12-4-3-5-13-38)43-25-23-39(24-26-43)45-30-31-46(50-16-7-6-15-49(45)50)41-22-21-40-34-42-32-37-20-28-47(42)54(33-37)53(40)35-41/h3-19,21-27,29-31,35-37,42,47,54H,20,28,32-34H2,1-2H3
InChIKeyZGOALXAZZKHEBW-UHFFFAOYSA-N
MW760.04 g/mol
LogP15.69
Rot. Bonds6

About 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine (PubChem CID 168764943) has the molecular formula C58H49N and a molecular weight of 760.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
PubChem CID168764943
Molecular FormulaC58H49N
Molecular Weight760.04 g/mol
Exact Mass759.39
IUPAC Name9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5CC7CCC5C(C6)C7)c5ccccc45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H49N/c1-58(2)55-18-10-8-17-51(55)52-29-27-44(36-56(52)58)59(57-19-11-9-14-48(57)38-12-4-3-5-13-38)43-25-23-39(24-26-43)45-30-31-46(50-16-7-6-15-49(45)50)41-22-21-40-34-42-32-37-20-28-47(42)54(33-37)53(40)35-41/h3-19,21-27,29-31,35-37,42,47,54H,20,28,32-34H2,1-2H3
InChIKeyZGOALXAZZKHEBW-UHFFFAOYSA-N
XLogP15.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.04
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 168764885
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170538831
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738817
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738800
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168738505
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738524
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine (CID 168764943) is 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5CC7CCC5C(C6)C7)c5ccccc45)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The InChIKey is ZGOALXAZZKHEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49N/c1-58(2)55-18-10-8-17-51(55)52-29-27-44(36-56(52)58)59(57-19-11-9-14-48(57)38-12-4-3-5-13-38)43-25-23-39(24-26-43)45-30-31-46(50-16-7-6-15-49(45)50)41-22-21-40-34-42-32-37-20-28-47(42)54(33-37)53(40)35-41/h3-19,21-27,29-31,35-37,42,47,54H,20,28,32-34H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine has a molecular weight of 760.04 g/mol, XLogP of 15.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 168764943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).