N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine

C62H49N — CID 170370668

IUPACN-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine
SMILESC1=C(c2ccc(-c3ccc(N(C4=CC=C(c5ccc(-c6ccccc6)cc5)CC4)c4cccc5c4-c4cc6c(cc4C5)-c4c(cccc4-c4ccccc4)C6)cc3)cc2)CCCC1
InChIInChI=1S/C62H49N/c1-4-12-42(13-5-1)44-22-26-46(27-23-44)48-30-34-55(35-31-48)63(56-36-32-49(33-37-56)47-28-24-45(25-29-47)43-14-6-2-7-15-43)60-21-11-19-52-39-54-40-58-53(41-59(54)62(52)60)38-51-18-10-20-57(61(51)58)50-16-8-3-9-17-50/h1,3-5,8-14,16-30,32-34,36-37,40-41H,2,6-7,15,31,35,38-39H2
InChIKeyCHSLTURWNGCDRY-UHFFFAOYSA-N
MW808.08 g/mol
LogP16.69
Rot. Bonds8

About N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine

N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine (PubChem CID 170370668) has the molecular formula C62H49N and a molecular weight of 808.08 g/mol. Its IUPAC name is N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine
PubChem CID170370668
Molecular FormulaC62H49N
Molecular Weight808.08 g/mol
Exact Mass807.39
IUPAC NameN-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine
SMILESC1=C(c2ccc(-c3ccc(N(C4=CC=C(c5ccc(-c6ccccc6)cc5)CC4)c4cccc5c4-c4cc6c(cc4C5)-c4c(cccc4-c4ccccc4)C6)cc3)cc2)CCCC1
InChIInChI=1S/C62H49N/c1-4-12-42(13-5-1)44-22-26-46(27-23-44)48-30-34-55(35-31-48)63(56-36-32-49(33-37-56)47-28-24-45(25-29-47)43-14-6-2-7-15-43)60-21-11-19-52-39-54-40-58-53(41-59(54)62(52)60)38-51-18-10-20-57(61(51)58)50-16-8-3-9-17-50/h1,3-5,8-14,16-30,32-34,36-37,40-41H,2,6-7,15,31,35,38-39H2
InChIKeyCHSLTURWNGCDRY-UHFFFAOYSA-N
XLogP16.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.08
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine with MolForge

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Related Compounds

N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine
CID 121384299
N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 142377963
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 143462430
4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 70822819
9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166881122
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine
CID 137469184
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine
CID 135217918
5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 118178106
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine?
The IUPAC name of N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine (CID 170370668) is N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine.
What is the SMILES notation for N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine?
The canonical SMILES for N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine is C1=C(c2ccc(-c3ccc(N(C4=CC=C(c5ccc(-c6ccccc6)cc5)CC4)c4cccc5c4-c4cc6c(cc4C5)-c4c(cccc4-c4ccccc4)C6)cc3)cc2)CCCC1.
What is the InChIKey of N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine?
The InChIKey is CHSLTURWNGCDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N/c1-4-12-42(13-5-1)44-22-26-46(27-23-44)48-30-34-55(35-31-48)63(56-36-32-49(33-37-56)47-28-24-45(25-29-47)43-14-6-2-7-15-43)60-21-11-19-52-39-54-40-58-53(41-59(54)62(52)60)38-51-18-10-20-57(61(51)58)50-16-8-3-9-17-50/h1,3-5,8-14,16-30,32-34,36-37,40-41H,2,6-7,15,31,35,38-39H2.
What are the key properties of N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine?
N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine has a molecular weight of 808.08 g/mol, XLogP of 16.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine is sourced from PubChem (CID 170370668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).