N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine

C51H38N2 — CID 131969708

IUPACN-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
SMILESCC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2ccc(-c3ccccc3N(C)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C51H38N2/c1-33-15-14-24-45-50(33)42-21-7-11-23-44(42)51(45)43-22-10-6-19-38(43)39-29-27-34(31-46(39)51)37-18-8-12-25-47(37)52(2)36-28-30-41-40-20-9-13-26-48(40)53(49(41)32-36)35-16-4-3-5-17-35/h3-14,16-33H,15H2,1-2H3
InChIKeyQVDSVMMZGFZHQF-UHFFFAOYSA-N
MW678.88 g/mol
LogP12.90
Rot. Bonds4

About N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine

N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine (PubChem CID 131969708) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
PubChem CID131969708
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
SMILESCC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2ccc(-c3ccccc3N(C)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C51H38N2/c1-33-15-14-24-45-50(33)42-21-7-11-23-44(42)51(45)43-22-10-6-19-38(43)39-29-27-34(31-46(39)51)37-18-8-12-25-47(37)52(2)36-28-30-41-40-20-9-13-26-48(40)53(49(41)32-36)35-16-4-3-5-17-35/h3-14,16-33H,15H2,1-2H3
InChIKeyQVDSVMMZGFZHQF-UHFFFAOYSA-N
XLogP12.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 145303098
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59211114
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118505785
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 159143732
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine?
The IUPAC name of N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine (CID 131969708) is N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine?
The canonical SMILES for N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine is CC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2ccc(-c3ccccc3N(C)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine?
The InChIKey is QVDSVMMZGFZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-33-15-14-24-45-50(33)42-21-7-11-23-44(42)51(45)43-22-10-6-19-38(43)39-29-27-34(31-46(39)51)37-18-8-12-25-47(37)52(2)36-28-30-41-40-20-9-13-26-48(40)53(49(41)32-36)35-16-4-3-5-17-35/h3-14,16-33H,15H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine?
N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine has a molecular weight of 678.88 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine is sourced from PubChem (CID 131969708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).