N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine

C49H48N2 — CID 166750784

IUPACN-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
SMILESC/C=C\c1c(C)c2cc(N(C3=CC=C4C5=C(C=CCC=C5)C(C)(C)C4C3)C3C=C4C(=CC3)c3ccccc3C4(C)C)ccc2n1-c1ccccc1
InChIInChI=1S/C49H48N2/c1-7-16-46-32(2)41-29-34(25-28-47(41)51(46)33-17-10-8-11-18-33)50(36-24-27-40-38-20-14-15-22-43(38)49(5,6)45(40)31-36)35-23-26-39-37-19-12-9-13-21-42(37)48(3,4)44(39)30-35/h7-8,10-23,25-29,31,36,44H,9,24,30H2,1-6H3/b16-7-
InChIKeyNUTBJWZASITIEC-APSNUPSMSA-N
MW664.94 g/mol
LogP12.53
Rot. Bonds5

About N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine

N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine (PubChem CID 166750784) has the molecular formula C49H48N2 and a molecular weight of 664.94 g/mol. Its IUPAC name is N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine.

Molecular Properties

Compound NameN-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
PubChem CID166750784
Molecular FormulaC49H48N2
Molecular Weight664.94 g/mol
Exact Mass664.38
IUPAC NameN-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
SMILESC/C=C\c1c(C)c2cc(N(C3=CC=C4C5=C(C=CCC=C5)C(C)(C)C4C3)C3C=C4C(=CC3)c3ccccc3C4(C)C)ccc2n1-c1ccccc1
InChIInChI=1S/C49H48N2/c1-7-16-46-32(2)41-29-34(25-28-47(41)51(46)33-17-10-8-11-18-33)50(36-24-27-40-38-20-14-15-22-43(38)49(5,6)45(40)31-36)35-23-26-39-37-19-12-9-13-21-42(37)48(3,4)44(39)30-35/h7-8,10-23,25-29,31,36,44H,9,24,30H2,1-6H3/b16-7-
InChIKeyNUTBJWZASITIEC-APSNUPSMSA-N
XLogP12.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.94
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine with MolForge

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Related Compounds

N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
CID 137397140
N-(9,9-dimethyl-2,3-dihydrofluoren-3-yl)-N,9-diphenylcarbazol-3-amine
CID 70886195
9,9-dimethyl-N-[4-[3-methyl-2-[(1Z)-penta-1,4-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167046043
17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine
CID 89065270
9,9-dimethyl-N-[4-[3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-N-phenylfluoren-2-amine
CID 139334521
7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-methylidenecyclohex-2-en-1-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-2,3-dihydrofluoren-2-amine
CID 167056731
9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine
CID 144619497
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine
CID 166698349
7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89178599
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
6-N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-3-N-(9,9-dimethylfluoren-2-yl)-4-methyl-3-N,6-N-dinaphthalen-2-yl-9-phenyl-3,4-dihydrocarbazole-3,6-diamine
CID 88952063
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869

Frequently Asked Questions

What is the IUPAC name of N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
The IUPAC name of N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine (CID 166750784) is N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine.
What is the SMILES notation for N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
The canonical SMILES for N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine is C/C=C\c1c(C)c2cc(N(C3=CC=C4C5=C(C=CCC=C5)C(C)(C)C4C3)C3C=C4C(=CC3)c3ccccc3C4(C)C)ccc2n1-c1ccccc1.
What is the InChIKey of N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
The InChIKey is NUTBJWZASITIEC-APSNUPSMSA-N. The full InChI is InChI=1S/C49H48N2/c1-7-16-46-32(2)41-29-34(25-28-47(41)51(46)33-17-10-8-11-18-33)50(36-24-27-40-38-20-14-15-22-43(38)49(5,6)45(40)31-36)35-23-26-39-37-19-12-9-13-21-42(37)48(3,4)44(39)30-35/h7-8,10-23,25-29,31,36,44H,9,24,30H2,1-6H3/b16-7-.
What are the key properties of N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine has a molecular weight of 664.94 g/mol, XLogP of 12.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine is sourced from PubChem (CID 166750784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).