N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine

C100H66N4 — CID 134387016

IUPACN-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine
SMILESCc1ccccc1N(c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccc(-c4ccc(C)c(N(c5ccc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)cc5)c5ccccn5)c4)cc3c2-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C100H66N4/c1-63-24-15-18-40-88(63)103(75-33-23-58-101-62-75)73-49-44-65(45-50-73)76-55-57-86-96-79(76)37-22-39-84(96)98-94(70-31-13-6-14-32-70)87-60-71(48-53-82(87)93(100(86)98)69-29-11-5-12-30-69)72-43-42-64(2)89(61-72)104(90-41-19-20-59-102-90)74-51-46-66(47-52-74)77-54-56-85-95-78(77)36-21-38-83(95)97-91(67-25-7-3-8-26-67)80-34-16-17-35-81(80)92(99(85)97)68-27-9-4-10-28-68/h3-62H,1-2H3
InChIKeyYZGQFULZPUVKAF-UHFFFAOYSA-N
MW1323.66 g/mol
LogP27.61
Rot. Bonds13

About N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine

N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine (PubChem CID 134387016) has the molecular formula C100H66N4 and a molecular weight of 1323.66 g/mol. Its IUPAC name is N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine
PubChem CID134387016
Molecular FormulaC100H66N4
Molecular Weight1323.66 g/mol
Exact Mass1322.53
IUPAC NameN-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine
SMILESCc1ccccc1N(c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccc(-c4ccc(C)c(N(c5ccc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)cc5)c5ccccn5)c4)cc3c2-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C100H66N4/c1-63-24-15-18-40-88(63)103(75-33-23-58-101-62-75)73-49-44-65(45-50-73)76-55-57-86-96-79(76)37-22-39-84(96)98-94(70-31-13-6-14-32-70)87-60-71(48-53-82(87)93(100(86)98)69-29-11-5-12-30-69)72-43-42-64(2)89(61-72)104(90-41-19-20-59-102-90)74-51-46-66(47-52-74)77-54-56-85-95-78(77)36-21-38-83(95)97-91(67-25-7-3-8-26-67)80-34-16-17-35-81(80)92(99(85)97)68-27-9-4-10-28-68/h3-62H,1-2H3
InChIKeyYZGQFULZPUVKAF-UHFFFAOYSA-N
XLogP27.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001323.66
LogP ≤ 527.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine with MolForge

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Related Compounds

5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-methyl-N,N-bis(2-methylphenyl)aniline
CID 144604884
N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine
CID 134387015
N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-naphthalen-1-yl-6-[3-[3-[naphthalen-1-yl(pyridin-4-yl)amino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]pyridin-3-amine
CID 134387092
N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine
CID 118312450
N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
CID 134387037
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674
N-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-N-phenylpyrimidin-5-amine
CID 118312558
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
CID 118312599
N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine
CID 118312564
6-N,17-N-bis(2-methylphenyl)-6-N,17-N-bis(4-methylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166032569
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine (CID 134387016) is N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine is Cc1ccccc1N(c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccc(-c4ccc(C)c(N(c5ccc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)cc5)c5ccccn5)c4)cc3c2-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine?
The InChIKey is YZGQFULZPUVKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H66N4/c1-63-24-15-18-40-88(63)103(75-33-23-58-101-62-75)73-49-44-65(45-50-73)76-55-57-86-96-79(76)37-22-39-84(96)98-94(70-31-13-6-14-32-70)87-60-71(48-53-82(87)93(100(86)98)69-29-11-5-12-30-69)72-43-42-64(2)89(61-72)104(90-41-19-20-59-102-90)74-51-46-66(47-52-74)77-54-56-85-95-78(77)36-21-38-83(95)97-91(67-25-7-3-8-26-67)80-34-16-17-35-81(80)92(99(85)97)68-27-9-4-10-28-68/h3-62H,1-2H3.
What are the key properties of N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine?
N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine has a molecular weight of 1323.66 g/mol, XLogP of 27.61, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 134387016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).