N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine

C45H33GeN — CID 166025148

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Ge]3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C45H33GeN/c1-45(2)39-20-10-6-16-33(39)34-26-24-31(28-40(34)45)47(30-14-4-3-5-15-30)32-25-27-38-37-19-9-13-23-43(37)46(44(38)29-32)41-21-11-7-17-35(41)36-18-8-12-22-42(36)46/h3-29H,1-2H3
InChIKeyVWGJVALEDPTLDK-UHFFFAOYSA-N
MW660.38 g/mol
LogP8.80
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine (PubChem CID 166025148) has the molecular formula C45H33GeN and a molecular weight of 660.38 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine
PubChem CID166025148
Molecular FormulaC45H33GeN
Molecular Weight660.38 g/mol
Exact Mass661.18
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Ge]3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C45H33GeN/c1-45(2)39-20-10-6-16-33(39)34-26-24-31(28-40(34)45)47(30-14-4-3-5-15-30)32-25-27-38-37-19-9-13-23-43(37)46(44(38)29-32)41-21-11-7-17-35(41)36-18-8-12-22-42(36)46/h3-29H,1-2H3
InChIKeyVWGJVALEDPTLDK-UHFFFAOYSA-N
XLogP8.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.38
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine (CID 166025148) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Ge]3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine?
The InChIKey is VWGJVALEDPTLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33GeN/c1-45(2)39-20-10-6-16-33(39)34-26-24-31(28-40(34)45)47(30-14-4-3-5-15-30)32-25-27-38-37-19-9-13-23-43(37)46(44(38)29-32)41-21-11-7-17-35(41)36-18-8-12-22-42(36)46/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine has a molecular weight of 660.38 g/mol, XLogP of 8.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine is sourced from PubChem (CID 166025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).