11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine

C39H37N — CID 163475592

IUPAC11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3c(c21)C(C)(C)C(C)(C)c1ccccc1-3
InChIInChI=1S/C39H37N/c1-37(2)34-25-28(40(26-15-9-7-10-16-26)27-17-11-8-12-18-27)21-22-30(34)31-23-24-32-29-19-13-14-20-33(29)38(3,4)39(5,6)36(32)35(31)37/h7-25H,1-6H3
InChIKeyFVLMYUQGOBBUHC-UHFFFAOYSA-N
MW519.73 g/mol
LogP10.70
Rot. Bonds3

About 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine

11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine (PubChem CID 163475592) has the molecular formula C39H37N and a molecular weight of 519.73 g/mol. Its IUPAC name is 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine.

Molecular Properties

Compound Name11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine
PubChem CID163475592
Molecular FormulaC39H37N
Molecular Weight519.73 g/mol
Exact Mass519.29
IUPAC Name11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3c(c21)C(C)(C)C(C)(C)c1ccccc1-3
InChIInChI=1S/C39H37N/c1-37(2)34-25-28(40(26-15-9-7-10-16-26)27-17-11-8-12-18-27)21-22-30(34)31-23-24-32-29-19-13-14-20-33(29)38(3,4)39(5,6)36(32)35(31)37/h7-25H,1-6H3
InChIKeyFVLMYUQGOBBUHC-UHFFFAOYSA-N
XLogP10.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10,10,20,20,21,21-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-amine
CID 163520415
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 134269456
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine
CID 163563984
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
CID 163815741
10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole
CID 163782748
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178

Frequently Asked Questions

What is the IUPAC name of 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine?
The IUPAC name of 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine (CID 163475592) is 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine.
What is the SMILES notation for 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine?
The canonical SMILES for 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3c(c21)C(C)(C)C(C)(C)c1ccccc1-3.
What is the InChIKey of 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine?
The InChIKey is FVLMYUQGOBBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N/c1-37(2)34-25-28(40(26-15-9-7-10-16-26)27-17-11-8-12-18-27)21-22-30(34)31-23-24-32-29-19-13-14-20-33(29)38(3,4)39(5,6)36(32)35(31)37/h7-25H,1-6H3.
What are the key properties of 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine?
11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine has a molecular weight of 519.73 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine is sourced from PubChem (CID 163475592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).