N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine

C58H46N2 — CID 167195094

IUPACN-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine
SMILESC1=CCC(n2c3c(c4c5ccccc5ccc42)C(c2cccc(N(c4ccc(C5=CC=C6C=CC=CC6C5)cc4)C4C=c5ccc6ccccc6c5=CC4)c2)CC=C3)C=C1
InChIInChI=1S/C58H46N2/c1-2-17-47(18-3-1)60-55-23-11-22-54(58(55)57-53-21-9-7-14-42(53)30-35-56(57)60)45-16-10-19-49(37-45)59(50-33-34-52-46(38-50)27-25-41-13-6-8-20-51(41)52)48-31-28-40(29-32-48)44-26-24-39-12-4-5-15-43(39)36-44/h1-17,19-21,23-32,34-35,37-38,43,47,50,54H,18,22,33,36H2
InChIKeySDHPFWDYVRAQOW-UHFFFAOYSA-N
MW771.02 g/mol
LogP13.18
Rot. Bonds6

About N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine

N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine (PubChem CID 167195094) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine
PubChem CID167195094
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC NameN-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine
SMILESC1=CCC(n2c3c(c4c5ccccc5ccc42)C(c2cccc(N(c4ccc(C5=CC=C6C=CC=CC6C5)cc4)C4C=c5ccc6ccccc6c5=CC4)c2)CC=C3)C=C1
InChIInChI=1S/C58H46N2/c1-2-17-47(18-3-1)60-55-23-11-22-54(58(55)57-53-21-9-7-14-42(53)30-35-56(57)60)45-16-10-19-49(37-45)59(50-33-34-52-46(38-50)27-25-41-13-6-8-20-51(41)52)48-31-28-40(29-32-48)44-26-24-39-12-4-5-15-43(39)36-44/h1-17,19-21,23-32,34-35,37-38,43,47,50,54H,18,22,33,36H2
InChIKeySDHPFWDYVRAQOW-UHFFFAOYSA-N
XLogP13.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine with MolForge

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Related Compounds

2-[4-[4-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole
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N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
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2-(4-methylphenyl)-1,8a-dihydronaphthalene
CID 140765452
9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene
CID 142551564
9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine
CID 152968565
9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine
CID 167282074
6-N-cyclohexa-2,4-dien-1-yl-9,10-di(phenanthren-2-yl)-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89049797
5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene
CID 89104661
4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 146269861
N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline
CID 138467786
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
CID 134390909
N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-[4-(2,3-dihydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-2,3,8,9-tetrahydrodibenzothiophen-4-amine
CID 167396274

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine?
The IUPAC name of N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine (CID 167195094) is N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine.
What is the SMILES notation for N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine?
The canonical SMILES for N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine is C1=CCC(n2c3c(c4c5ccccc5ccc42)C(c2cccc(N(c4ccc(C5=CC=C6C=CC=CC6C5)cc4)C4C=c5ccc6ccccc6c5=CC4)c2)CC=C3)C=C1.
What is the InChIKey of N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine?
The InChIKey is SDHPFWDYVRAQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-2-17-47(18-3-1)60-55-23-11-22-54(58(55)57-53-21-9-7-14-42(53)30-35-56(57)60)45-16-10-19-49(37-45)59(50-33-34-52-46(38-50)27-25-41-13-6-8-20-51(41)52)48-31-28-40(29-32-48)44-26-24-39-12-4-5-15-43(39)36-44/h1-17,19-21,23-32,34-35,37-38,43,47,50,54H,18,22,33,36H2.
What are the key properties of N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine?
N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine has a molecular weight of 771.02 g/mol, XLogP of 13.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-N-[3-(7-cyclohexa-2,4-dien-1-yl-10,11-dihydrobenzo[c]carbazol-11-yl)phenyl]-2,3-dihydrophenanthren-2-amine is sourced from PubChem (CID 167195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).