N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C58H42N2 — CID 139408685

IUPACN-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc21
InChIInChI=1S/C58H42N2/c1-59-55-29-17-15-27-52(55)56(57(59)44-20-8-3-9-21-44)43-32-36-48(37-33-43)60(47-34-30-42(31-35-47)41-18-6-2-7-19-41)49-38-39-51-50-26-14-16-28-53(50)58(54(51)40-49,45-22-10-4-11-23-45)46-24-12-5-13-25-46/h2-40H,1H3
InChIKeyXVOUXAKFWMYLLQ-UHFFFAOYSA-N
MW766.99 g/mol
LogP15.01
Rot. Bonds8

About N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 139408685) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID139408685
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC NameN-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc21
InChIInChI=1S/C58H42N2/c1-59-55-29-17-15-27-52(55)56(57(59)44-20-8-3-9-21-44)43-32-36-48(37-33-43)60(47-34-30-42(31-35-47)41-18-6-2-7-19-41)49-38-39-51-50-26-14-16-28-53(50)58(54(51)40-49,45-22-10-4-11-23-45)46-24-12-5-13-25-46/h2-40H,1H3
InChIKeyXVOUXAKFWMYLLQ-UHFFFAOYSA-N
XLogP15.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121447558
N-[4-[6-[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 59306647
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 157202960
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118180091

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 139408685) is N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is Cn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc21.
What is the InChIKey of N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XVOUXAKFWMYLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-59-55-29-17-15-27-52(55)56(57(59)44-20-8-3-9-21-44)43-32-36-48(37-33-43)60(47-34-30-42(31-35-47)41-18-6-2-7-19-41)49-38-39-51-50-26-14-16-28-53(50)58(54(51)40-49,45-22-10-4-11-23-45)46-24-12-5-13-25-46/h2-40H,1H3.
What are the key properties of N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 766.99 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 139408685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).